General Information of the Compound
| Compound ID |
CP0549920
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9200001, 123
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H20N8
|
||||||||||||||||||
| Molecular Weight |
360.425
|
||||||||||||||||||
| Canonical SMILES |
Cc1nc(C)n(n1)-c1cc(nc(N)n1)[C@H]1C[C@@H]1c1nc2ccccc2n1C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H20N8/c1-10-21-11(2)27(25-10)17-9-15(23-19(20)24-17)12-8-13(12)18-22-14-6-4-5-7-16(14)26(18)3/h4-7,9,12-13H,8H2,1-3H3,(H2,20,23,24)/t12-,13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WVGUWDCASABOSY-STQMWFEESA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound